REMARK Name = BDB042055 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.310 2.081 -1.728 0.00 0.00 +0.119 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.648 -0.493 -0.340 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.691 0.881 -0.183 0.00 0.00 +0.248 C ATOM 4 O LIG 1 6.611 1.566 0.216 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 4.369 1.394 -0.556 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.553 0.307 -0.856 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.238 0.506 -1.235 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.745 1.825 -1.302 0.00 0.00 -0.033 A ATOM 9 C LIG 1 2.599 2.912 -0.998 0.00 0.00 +0.005 A ATOM 10 C LIG 1 3.926 2.701 -0.615 0.00 0.00 +0.014 A ATOM 11 C LIG 1 4.311 -0.963 -0.674 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 10.136 -0.004 1.929 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 9.133 -0.404 1.340 0.00 0.00 +0.219 C ATOM 14 N LIG 1 8.092 -0.956 2.039 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.189 -0.940 3.044 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.890 -1.415 1.562 0.00 0.00 +0.240 C ATOM 17 O LIG 1 5.997 -1.756 2.338 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.701 -1.425 0.045 0.00 0.00 +0.163 C ATOM 19 C LIG 1 8.010 -1.301 -0.731 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.986 -0.291 -0.156 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -0.665 1.271 -0.983 0.00 0.00 -0.297 NA ATOM 22 C LIG 1 -1.957 1.241 -1.703 0.00 0.00 +0.100 C ATOM 23 C LIG 1 -3.203 0.762 -0.910 0.00 0.00 +0.100 C ATOM 24 N LIG 1 -3.064 -0.540 -0.251 0.00 0.00 -0.290 NA ATOM 25 C LIG 1 -1.901 -0.658 0.636 0.00 0.00 +0.086 C ATOM 26 C LIG 1 -1.396 0.618 1.325 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -0.825 1.712 0.405 0.00 0.00 +0.086 C BRANCH 24 28 ATOM 28 C LIG 1 -4.317 -1.106 0.315 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 C LIG 1 -5.294 -1.642 -0.757 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -4.850 -1.974 -2.051 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.722 -2.510 -3.003 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.051 -2.752 -2.674 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.506 -2.472 -1.389 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.633 -1.936 -0.437 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.955 -0.219 1.395 0.00 0.00 -0.026 A ATOM 36 C LIG 1 -4.702 -0.482 2.753 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.263 0.315 3.754 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.087 1.385 3.414 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.351 1.661 2.075 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.790 0.866 1.074 0.00 0.00 +0.005 A ENDBRANCH 28 35 ENDBRANCH 24 28 ENDBRANCH 1 21 TORSDOF 6